5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile

C21H21F4N7O2 — CID 177159573

IUPAC5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCOc1cc2ncc(-c3nc(N[C@H]4CCCNC4)c(C#N)cc3F)n2nc1[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C21H21F4N7O2/c1-20(33,21(23,24)25)18-15(34-2)7-16-28-10-14(32(16)31-18)17-13(22)6-11(8-26)19(30-17)29-12-4-3-5-27-9-12/h6-7,10,12,27,33H,3-5,9H2,1-2H3,(H,29,30)/t12-,20+/m0/s1
InChIKeyPNXQBEBTYKCYRW-FKIZINRSSA-N
MW479.44 g/mol
LogP2.74
Rot. Bonds5

About 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile

5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile (PubChem CID 177159573) has the molecular formula C21H21F4N7O2 and a molecular weight of 479.44 g/mol. Its IUPAC name is 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile
PubChem CID177159573
Molecular FormulaC21H21F4N7O2
Molecular Weight479.44 g/mol
Exact Mass479.17
IUPAC Name5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile
SMILESCOc1cc2ncc(-c3nc(N[C@H]4CCCNC4)c(C#N)cc3F)n2nc1[C@@](C)(O)C(F)(F)F
InChIInChI=1S/C21H21F4N7O2/c1-20(33,21(23,24)25)18-15(34-2)7-16-28-10-14(32(16)31-18)17-13(22)6-11(8-26)19(30-17)29-12-4-3-5-27-9-12/h6-7,10,12,27,33H,3-5,9H2,1-2H3,(H,29,30)/t12-,20+/m0/s1
InChIKeyPNXQBEBTYKCYRW-FKIZINRSSA-N
XLogP2.74
TPSA120.39 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.44
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile (CID 177159573) is 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile is COc1cc2ncc(-c3nc(N[C@H]4CCCNC4)c(C#N)cc3F)n2nc1[C@@](C)(O)C(F)(F)F.
What is the InChIKey of 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile?
The InChIKey is PNXQBEBTYKCYRW-FKIZINRSSA-N. The full InChI is InChI=1S/C21H21F4N7O2/c1-20(33,21(23,24)25)18-15(34-2)7-16-28-10-14(32(16)31-18)17-13(22)6-11(8-26)19(30-17)29-12-4-3-5-27-9-12/h6-7,10,12,27,33H,3-5,9H2,1-2H3,(H,29,30)/t12-,20+/m0/s1.
What are the key properties of 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile?
5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile has a molecular weight of 479.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[7-methoxy-6-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]imidazo[1,2-b]pyridazin-3-yl]-2-[[(3S)-piperidin-3-yl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 177159573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).